input word = C00053402

Metabolite InformationStructural formula
Name Karavoate O
Formula C40H58O4
Mw 602.43351034
CAS RN 1269766-67-7
C_ID C00053402
InChIKey BADJBPVQMUKJIM-OVTNZYBPSA-N
InChICode InChI=1S/C40H58O4/c1-26(2)23-29(44-35(42)18-15-28-13-11-10-12-14-28)24-27(3)30-19-20-40(8)36-33(43-9)25-32-31(16-17-34(41)37(32,4)5)38(36,6)21-22-39(30,40)7/h10-15,18,23,25,27,29-31,33-34,36,41H,16-17,19-22,24H2,1-9H3/b18-15+/t27-,29+,30-,31-,33+,34+,36-,38+,39-,40+/m1/s1
SMILES CO[C@H]1C=C2[C@@H](CC[C@H](O)C2(C)C)[C@]2(C)CC[C@]3(C)[C@@H]([C@H](C)C[C@H](C=C(C)C)OC(=O)/C=C/c4ccccc4)CC[C@@]3(C)[C@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeMomordica balsamina Ref.
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